Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.8320   -1.1104    0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048    0.0072    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0079    0.3259   -0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6824    1.5334   -0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296    1.8958   -0.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6306    1.0015   -0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3364   -0.2213   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -0.5404    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4302   -1.1791    0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8806   -1.2654    0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1291   -1.8706    1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1938    0.7468   -0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4546    2.2524   -0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    2.8458   -1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715    1.2872   -0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1973   -1.5007    0.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2984   -0.9417   -0.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0974   -2.2101    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7924   -1.0563    1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers